4-amino-5-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-3,4-dihydro-1H-quinolin-2-one

C21H23FN6O — CID 67319772

IUPAC4-amino-5-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-3,4-dihydro-1H-quinolin-2-one
SMILESCN1CCN(c2ccc3nc(C4C(=O)Nc5cccc(F)c5C4N)[nH]c3c2)CC1
InChIInChI=1S/C21H23FN6O/c1-27-7-9-28(10-8-27)12-5-6-14-16(11-12)25-20(24-14)18-19(23)17-13(22)3-2-4-15(17)26-21(18)29/h2-6,11,18-19H,7-10,23H2,1H3,(H,24,25)(H,26,29)
InChIKeyUPFRBZBLAJRLCH-UHFFFAOYSA-N
MW394.45 g/mol
LogP2.19
Rot. Bonds2

About 4-amino-5-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-3,4-dihydro-1H-quinolin-2-one

4-amino-5-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 67319772) has the molecular formula C21H23FN6O and a molecular weight of 394.45 g/mol. Its IUPAC name is 4-amino-5-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name4-amino-5-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID67319772
Molecular FormulaC21H23FN6O
Molecular Weight394.45 g/mol
Exact Mass394.19
IUPAC Name4-amino-5-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-3,4-dihydro-1H-quinolin-2-one
SMILESCN1CCN(c2ccc3nc(C4C(=O)Nc5cccc(F)c5C4N)[nH]c3c2)CC1
InChIInChI=1S/C21H23FN6O/c1-27-7-9-28(10-8-27)12-5-6-14-16(11-12)25-20(24-14)18-19(23)17-13(22)3-2-4-15(17)26-21(18)29/h2-6,11,18-19H,7-10,23H2,1H3,(H,24,25)(H,26,29)
InChIKeyUPFRBZBLAJRLCH-UHFFFAOYSA-N
XLogP2.19
TPSA90.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

4-amino-5-fluoro-4-methyl-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1,3-dihydroquinolin-2-one
CID 146232311
1-amino-5-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]quinolin-2-one
CID 57336746
6-(4-methylpiperazin-1-yl)-1H-benzimidazole-2-sulfonic acid
CID 87680464
4-amino-5-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one;but-1-ene-2,3-diol
CID 176571063
4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]piperidin-4-amine
CID 59279365
4-amino-5-fluoro-8-hydroxy-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one
CID 167713312
[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-phenylmethanone
CID 45488171
1-[4-(3-fluorophenyl)-2-methyl-5-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]ethanone
CID 154688883
4-amino-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-1,5-naphthyridin-2-one
CID 135839371
4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-2,1,3-benzoxadiazole
CID 59785439
3-[6-(4-acetylpiperazin-1-yl)-1H-benzimidazol-2-yl]-4-amino-5-fluoro-1H-quinolin-2-one
CID 136599734
4-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]aniline
CID 163663064

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 4-amino-5-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-3,4-dihydro-1H-quinolin-2-one (CID 67319772) is 4-amino-5-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 4-amino-5-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 4-amino-5-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-3,4-dihydro-1H-quinolin-2-one is CN1CCN(c2ccc3nc(C4C(=O)Nc5cccc(F)c5C4N)[nH]c3c2)CC1.
What is the InChIKey of 4-amino-5-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is UPFRBZBLAJRLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN6O/c1-27-7-9-28(10-8-27)12-5-6-14-16(11-12)25-20(24-14)18-19(23)17-13(22)3-2-4-15(17)26-21(18)29/h2-6,11,18-19H,7-10,23H2,1H3,(H,24,25)(H,26,29).
What are the key properties of 4-amino-5-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-3,4-dihydro-1H-quinolin-2-one?
4-amino-5-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 394.45 g/mol, XLogP of 2.19, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 67319772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).